193875

Source:http://linkedlifedata.com/resource/chembl/compound/193875

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C28H42N4O6/c1-7-12-21(24(33)26(35)29-19(6)20-13-9-8-10-14-20)30-25(34)22-15-11-16-32(22)27(36)23(17(2)3)31-28(37)38-18(4)5/h8-10,13-14,17-19,21-23H,7,11-12,15-16H2,1-6H3,(H,29,35)(H,30,34)(H,31,37)/t19-,21?,22?,23-/m0/s1
chemicalCompound:standardIn...	LYIIDLVZEINSJV-OZRWQMGGSA-N
chemicalCompound:canonicalS...	CCCC(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c2ccccc2
chemicalCompound:molecularF...	C28 H42 N4 O6
chemicalCompound:moleculeId	193875
chemicalCompound:mwFreebase	530.656
chemicalCompound:alogp	3.353
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	133.9
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.189
chemicalCompound:acdLogP	3.455
chemicalCompound:acdLogD	3.455
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	530.656
chemicalCompound:chemblId	CHEMBL119565
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:293875
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:941737, activity:941738, activity:941739, activity:941740